1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine

C12H23FN2O — CID 168833186

IUPAC1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine
SMILESCC(C)(C)CN1CCN(C2COC2)CC1F
InChIInChI=1S/C12H23FN2O/c1-12(2,3)9-15-5-4-14(6-11(15)13)10-7-16-8-10/h10-11H,4-9H2,1-3H3
InChIKeyLJDGTPCZOWBPAJ-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.34
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine

1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine (PubChem CID 168833186) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine
PubChem CID168833186
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine
SMILESCC(C)(C)CN1CCN(C2COC2)CC1F
InChIInChI=1S/C12H23FN2O/c1-12(2,3)9-15-5-4-14(6-11(15)13)10-7-16-8-10/h10-11H,4-9H2,1-3H3
InChIKeyLJDGTPCZOWBPAJ-UHFFFAOYSA-N
XLogP1.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethylpropyl)-2,5-difluoro-4-methylpiperazine
CID 155118393
3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine
CID 149071581
1-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)-2-methylpropan-2-amine
CID 130941505
(3R)-3-methyl-1-(oxetan-3-yl)pyrrolidine
CID 142381359
ethane;1-methyl-4-(oxetan-3-yl)piperazine
CID 144595664
3-(difluoromethoxymethyl)-4-(2,2-dimethylpropyl)morpholine
CID 137419211
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 158121674
9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146322997
(3S)-3-methoxy-1-(oxetan-3-yl)pyrrolidine
CID 118553663
ethane;1-(oxetan-3-yl)piperidine
CID 170574433
ethane;3-methyl-1-(oxetan-3-yl)azetidine
CID 144739984
ethane;1-(oxetan-3-yl)-4-propylpiperidine
CID 144662660

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine (CID 168833186) is 1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine is CC(C)(C)CN1CCN(C2COC2)CC1F.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine?
The InChIKey is LJDGTPCZOWBPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-12(2,3)9-15-5-4-14(6-11(15)13)10-7-16-8-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine?
1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine has a molecular weight of 230.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-fluoro-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 168833186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).